SCHEMBL15218673

SCHEMBL15218673

CC(=N)n1nnc2ccccc21

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.72
▸ GAA P10253 10/20 0.54
▸ MGAM O43451 9/20 0.54
▸ AMY1A P0DUB6 9/20 0.54
▸ SI P14410 9/20 0.54
▸ MGAM2 Q2M2H8 9/20 0.54
▸ SLC9A1 P19634 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ F2 P00734 2/20 0.54
▸ HPGD P15428 1/20 0.54
▸ POLB P06746 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ ATM Q13315 1/20 0.52
▸ KEAP1 Q14145 1/20 0.52
▸ MAPT P10636 2/20 0.50
▸ KCNMA1 Q12791 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2732640 0.84 DGAT1 (1.00) DGAT1GAAMGAMAMY1ASI
SCHEMBL15426052 0.81 DGAT1 (0.61) DGAT1GAAMGAMAMY1ASI
SCHEMBL18526054 0.81 DGAT1 (0.61) DGAT1GAAMGAMAMY1ASI
SCHEMBL1520814 0.81 DGAT1 (0.72) DGAT1GAAMGAMAMY1ASI
SCHEMBL535054 0.81 GAA (0.64) DGAT1GAAMGAMAMY1ASI
SCHEMBL29163194 0.81 DGAT1 (0.61) DGAT1GAAMGAMAMY1ASI
SCHEMBL14362020 0.81 DGAT1 (0.61) DGAT1GAAMGAMAMY1ASI
SCHEMBL21737729 0.80 DGAT1 (0.66) DGAT1GAAMGAMAMY1ASI
SCHEMBL12282952 0.80 DGAT1 (0.66) DGAT1GAAMGAMAMY1ASI
SCHEMBL9618160 0.79 DGAT1 (0.70) DGAT1GAAMGAMAMY1ASI

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130225583-A1 SUBSTITUTED AMINO-TRIAZOLYL PDE10 INHIBITORS MERCK SHARP & DOHME CORP. 2013-08-29 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130225583-A1 SUBSTITUTED AMINO-TRIAZOLYL PDE10 INHIBITORS PDE10A, PDE12, PDE4A DGAT1 1985/4885GAA 250/4885MGAM 3071/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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